N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide

C13H13BrN2O2S — CID 43602585

IUPACN-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3
InChIKeyDGZAPVJPFZBTQE-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.14
Rot. Bonds3

About N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide

N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 43602585) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID43602585
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3
InChIKeyDGZAPVJPFZBTQE-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
1-[4-[(2-bromo-4-methylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 39829886
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide (CID 43602585) is N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(Br)c1.
What is the InChIKey of N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is DGZAPVJPFZBTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11/h2-8,16H,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide?
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 43602585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).